bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane

C12H16Br2OS2Si2 — CID 156600142

IUPACbis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane
SMILESC[Si](C)(C)O[Si](C)(c1sccc1Br)c1sccc1Br
InChIInChI=1S/C12H16Br2OS2Si2/c1-18(2,3)15-19(4,11-9(13)5-7-16-11)12-10(14)6-8-17-12/h5-8H,1-4H3
InChIKeyOWYRNAQJSZRBGG-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.88
Rot. Bonds4

About bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane

bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane (PubChem CID 156600142) has the molecular formula C12H16Br2OS2Si2 and a molecular weight of 456.37 g/mol. Its IUPAC name is bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane.

Molecular Properties

Compound Namebis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane
PubChem CID156600142
Molecular FormulaC12H16Br2OS2Si2
Molecular Weight456.37 g/mol
Exact Mass453.85
IUPAC Namebis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane
SMILESC[Si](C)(C)O[Si](C)(c1sccc1Br)c1sccc1Br
InChIInChI=1S/C12H16Br2OS2Si2/c1-18(2,3)15-19(4,11-9(13)5-7-16-11)12-10(14)6-8-17-12/h5-8H,1-4H3
InChIKeyOWYRNAQJSZRBGG-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(3-bromothiophen-2-yl)-dibutylsilane
CID 139900679
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2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 63796850
5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
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2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan
CID 106855685
3-bromo-2-[chloro-(3-propoxyphenyl)methyl]thiophene
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3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
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3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene
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CID 116708553

Frequently Asked Questions

What is the IUPAC name of bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane?
The IUPAC name of bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane (CID 156600142) is bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane.
What is the SMILES notation for bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane?
The canonical SMILES for bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane is C[Si](C)(C)O[Si](C)(c1sccc1Br)c1sccc1Br.
What is the InChIKey of bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane?
The InChIKey is OWYRNAQJSZRBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2OS2Si2/c1-18(2,3)15-19(4,11-9(13)5-7-16-11)12-10(14)6-8-17-12/h5-8H,1-4H3.
What are the key properties of bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane?
bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane has a molecular weight of 456.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromothiophen-2-yl)-methyl-trimethylsilyloxysilane is sourced from PubChem (CID 156600142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).